
     RDKit          3D

 83 85  0  0  0  0  0  0  0  0999 V2000
   -2.8934   -4.8489   -1.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2082   -4.0018   -2.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1049   -2.4811   -2.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4663   -1.7804   -2.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3448   -2.0677   -1.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0303   -2.5859   -1.1829 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1928   -1.7599   -1.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1818   -1.9347   -1.7779 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3130   -0.7987    0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4384    0.6907   -0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7671    0.9668   -0.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8613    0.9801   -2.1777 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9366    1.1506   -0.1071 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2813    1.2667   -0.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2763    1.8661    0.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6142    0.8921    1.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1096   -0.4580    0.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3235   -1.3502    1.9908 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0752   -1.0618   -0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7779   -0.1019   -1.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3358    1.1161   -1.1371 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5851    2.1818   -0.8335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4844    2.4733   -1.6671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4983    2.9655    0.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    4.0086    0.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5300    4.8556    1.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3244    4.6792    2.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2605    3.6449    2.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3568    2.7653    1.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2981    1.7239    1.6637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3877    0.5839    0.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1198   -0.5794    1.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4942   -0.2104    2.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5733    0.5155    1.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3232    2.0234    1.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8510   -0.1434   -0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2139   -1.7250    0.5734 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0389   -2.4272    0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5693   -3.3371    0.8774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1670   -5.8342   -2.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8185   -4.3667   -1.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1985   -5.0426   -0.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7733   -4.1311   -3.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1995   -4.4219   -2.9569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4923   -2.0682   -3.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3495   -0.6854   -2.4466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2033   -2.1710   -1.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8748   -1.9400   -3.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897   -0.9659   -1.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1924   -3.5980   -1.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4573   -0.9388    0.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2097   -1.0864    0.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4127    1.2701    0.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8049    1.2376    0.9262 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2344    1.9653   -1.5497 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.8004    0.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2155    2.1403   -0.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7236    0.7326    2.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4069    1.3470    2.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0635   -0.3041    0.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1663   -1.0704    2.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4695   -2.0164   -0.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1338   -1.2907    0.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0199   -0.5637   -1.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7032    0.0433   -1.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2324    0.6438   -2.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1006    4.1750   -0.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2541    5.6591    1.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2576    5.3439    3.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9094    3.5123    3.4831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8657    0.8424   -0.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3666    0.2316    0.6369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4794   -0.8993    2.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3007    0.4041    3.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9454   -1.1510    2.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5177    0.4321    1.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2637    2.5264    0.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5626    2.2381    0.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0022    2.4731    2.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9698   -0.0605   -0.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1239   -1.2093    0.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7054    0.3622   -0.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1075   -2.2624    0.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 10 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 32 37  1  0
 37 38  1  0
 38 39  2  0
 38  5  1  0
 20 14  1  0
 29 24  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  2 43  1  0
  2 44  1  0
  3 45  1  0
  4 46  1  0
  4 47  1  0
  4 48  1  0
  5 49  1  0
  6 50  1  0
  9 51  1  0
  9 52  1  0
 10 53  1  0
 13 54  1  0
 14 55  1  0
 15 56  1  0
 15 57  1  0
 16 58  1  0
 16 59  1  0
 17 60  1  0
 18 61  1  0
 19 62  1  0
 19 63  1  0
 20 64  1  0
 20 65  1  0
 21 66  1  0
 25 67  1  0
 26 68  1  0
 27 69  1  0
 28 70  1  0
 31 71  1  0
 31 72  1  0
 32 73  1  0
 33 74  1  0
 33 75  1  0
 34 76  1  0
 35 77  1  0
 35 78  1  0
 35 79  1  0
 36 80  1  0
 36 81  1  0
 36 82  1  0
 37 83  1  0
M  END
$$$$
